5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrimidin-2-amine

C22H21ClN6O2 — CID 45380693

IUPAC5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrimidin-2-amine
SMILESCOc1cc(N2CCOCC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1
InChIInChI=1S/C22H21ClN6O2/c1-30-19-12-15(28-8-10-31-11-9-28)5-6-17(19)26-22-25-13-16(23)21(27-22)18-14-24-20-4-2-3-7-29(18)20/h2-7,12-14H,8-11H2,1H3,(H,25,26,27)
InChIKeyRRYPNJCEIBUACP-UHFFFAOYSA-N
MW436.90 g/mol
LogP4.03
Rot. Bonds5

About 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrimidin-2-amine

5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrimidin-2-amine (PubChem CID 45380693) has the molecular formula C22H21ClN6O2 and a molecular weight of 436.90 g/mol. Its IUPAC name is 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrimidin-2-amine
PubChem CID45380693
Molecular FormulaC22H21ClN6O2
Molecular Weight436.90 g/mol
Exact Mass436.14
IUPAC Name5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrimidin-2-amine
SMILESCOc1cc(N2CCOCC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1
InChIInChI=1S/C22H21ClN6O2/c1-30-19-12-15(28-8-10-31-11-9-28)5-6-17(19)26-22-25-13-16(23)21(27-22)18-14-24-20-4-2-3-7-29(18)20/h2-7,12-14H,8-11H2,1H3,(H,25,26,27)
InChIKeyRRYPNJCEIBUACP-UHFFFAOYSA-N
XLogP4.03
TPSA76.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.90
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrimidin-2-amine?
The IUPAC name of 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrimidin-2-amine (CID 45380693) is 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrimidin-2-amine is COc1cc(N2CCOCC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1.
What is the InChIKey of 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrimidin-2-amine?
The InChIKey is RRYPNJCEIBUACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN6O2/c1-30-19-12-15(28-8-10-31-11-9-28)5-6-17(19)26-22-25-13-16(23)21(27-22)18-14-24-20-4-2-3-7-29(18)20/h2-7,12-14H,8-11H2,1H3,(H,25,26,27).
What are the key properties of 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrimidin-2-amine?
5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrimidin-2-amine has a molecular weight of 436.90 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-imidazo[1,2-a]pyridin-3-yl-N-(2-methoxy-4-morpholin-4-ylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 45380693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).